3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C25H31N3O3S — CID 143205438

IUPAC3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESC=S(=O)(CCOCC)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C25H31N3O3S/c1-3-31-13-14-32(2,30)28-11-9-19(10-12-28)23-17-27-24-21(23)15-20(16-22(24)25(26)29)18-7-5-4-6-8-18/h4-8,15-17,19,27H,2-3,9-14H2,1H3,(H2,26,29)
InChIKeyPBDFOBOPEQYMRT-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.78
Rot. Bonds8

About 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 143205438) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID143205438
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC Name3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESC=S(=O)(CCOCC)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C25H31N3O3S/c1-3-31-13-14-32(2,30)28-11-9-19(10-12-28)23-17-27-24-21(23)15-20(16-22(24)25(26)29)18-7-5-4-6-8-18/h4-8,15-17,19,27H,2-3,9-14H2,1H3,(H2,26,29)
InChIKeyPBDFOBOPEQYMRT-UHFFFAOYSA-N
XLogP3.78
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791098
3-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144420
3-[1-[3-(3-hydroxyphenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791641
5-(3-ethylphenyl)-3-[1-(3-methoxypropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
CID 59003287
5-(4-acetamidophenyl)-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11202185
3-[1-[2-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethoxy]ethylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 68791295
3-[1-(6-methyl-4-propan-2-ylheptyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 143205422
3-[1-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69145423
3-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 69144056
3-[1-[3-(dimethylamino)propanoyl]piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
CID 11258625
3-(1-ethylsulfonylpiperidin-4-yl)-5-(2-phenylmethoxyethoxy)-1H-indole-7-carboxamide
CID 16736603
3-[1-(ethyl-methylidene-oxo-λ6-sulfanyl)azepan-4-yl]-5-[5-[1-[methyl(propyl)amino]ethyl]thiophen-3-yl]-1H-indole-7-carboxamide
CID 143389589

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 143205438) is 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is C=S(=O)(CCOCC)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is PBDFOBOPEQYMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-3-31-13-14-32(2,30)28-11-9-19(10-12-28)23-17-27-24-21(23)15-20(16-22(24)25(26)29)18-7-5-4-6-8-18/h4-8,15-17,19,27H,2-3,9-14H2,1H3,(H2,26,29).
What are the key properties of 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-ethoxyethyl-methylidene-oxo-λ6-sulfanyl)piperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 143205438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).